ethane;4-(4-methoxybutyl)thiomorpholine

C11H25NOS — CID 143134021

IUPACethane;4-(4-methoxybutyl)thiomorpholine
SMILESCC.COCCCCN1CCSCC1
InChIInChI=1S/C9H19NOS.C2H6/c1-11-7-3-2-4-10-5-8-12-9-6-10;1-2/h2-9H2,1H3;1-2H3
InChIKeySMKPSAVDQYLIQN-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.49
Rot. Bonds5

About ethane;4-(4-methoxybutyl)thiomorpholine

ethane;4-(4-methoxybutyl)thiomorpholine (PubChem CID 143134021) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is ethane;4-(4-methoxybutyl)thiomorpholine.

Molecular Properties

Compound Nameethane;4-(4-methoxybutyl)thiomorpholine
PubChem CID143134021
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Nameethane;4-(4-methoxybutyl)thiomorpholine
SMILESCC.COCCCCN1CCSCC1
InChIInChI=1S/C9H19NOS.C2H6/c1-11-7-3-2-4-10-5-8-12-9-6-10;1-2/h2-9H2,1H3;1-2H3
InChIKeySMKPSAVDQYLIQN-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-(2-chloroethyl)-4-(4-methoxybutyl)piperazine
CID 104649698
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 103659104
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
4-(4-piperidin-1-ylbutyl)thiomorpholine
CID 173179038
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
CID 135180480

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methoxybutyl)thiomorpholine?
The IUPAC name of ethane;4-(4-methoxybutyl)thiomorpholine (CID 143134021) is ethane;4-(4-methoxybutyl)thiomorpholine.
What is the SMILES notation for ethane;4-(4-methoxybutyl)thiomorpholine?
The canonical SMILES for ethane;4-(4-methoxybutyl)thiomorpholine is CC.COCCCCN1CCSCC1.
What is the InChIKey of ethane;4-(4-methoxybutyl)thiomorpholine?
The InChIKey is SMKPSAVDQYLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS.C2H6/c1-11-7-3-2-4-10-5-8-12-9-6-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methoxybutyl)thiomorpholine?
ethane;4-(4-methoxybutyl)thiomorpholine has a molecular weight of 219.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methoxybutyl)thiomorpholine is sourced from PubChem (CID 143134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).